MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02321453

Type: Neutral
Formula: C₂₀H₂₀N₂O₂

SMILES:

O(C(=O)c1ccc(N)cc1)c1ccc2c(cccc2)c1CN(C)C

InChI:

InChI=1/C20H20N2O2/c1-22(2)13-18-17-6-4-3-5-14(17)9-12-19(18)24-20(23)15-7-10-16(21)11-8-15/h3-12H,13,21H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.296 kcal/mol

Physical Properties
Molecular Weight: 320.392 g/mol	logS: -4.96915	SlogP: 3.9692	Reactive groups: 0

Topological Properties
Globularity: 0.0904122	Sterimol/B1: 2.27314	Sterimol/B2: 3.87205	Sterimol/B3: 5.31389
Sterimol/B4: 6.86257	Sterimol/L: 17.0607

Surface and Volume Properties
Accessible surface: 568.965	Positive charged surface: 364.045	Negative charged surface: 195.245	Volume: 320.375
Hydrophobic surface: 478.459	Hydrophilic surface: 90.506

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules

MMs02321454
NCID-ZINC01688835